版块导航
正在加载中...
客户端APP下载
论文辅导
申博辅导
登录
注册
帖子
帖子
用户
本版
24小时热门版块排行榜
>
虫友互识
(55)
>
论文投稿
(15)
>
导师招生
(12)
>
硕博家园
(10)
>
休闲灌水
(10)
>
博后之家
(9)
>
考博
(8)
>
文献求助
(6)
>
公派出国
(6)
>
基金申请
(5)
>
考研
(5)
>
教师之家
(4)
>
找工作
(4)
>
论文道贺祈福
(3)
>
海外博后
(1)
>
有机资源
(1)
申请当版主
|
存档区
|
应助排行
|
模拟EPI排行
小木虫论坛-学术科研互动平台
»
计算模拟区
»
分子模拟
»
DS/Sybyl/Autodock
订阅
管理团队
(金币库
69389.8
充值
)
主管区长:
月只蓝
小红豆
主管版主:
abinitio
沙漠猎人
杰出贡献者
专家顾问:
pigrass
oxox6085
lsloneil
brucefan
jerkwin
荣誉版主:
wuli8
lei0736
nono2009
fegg7502
ghcacj
zzy870720z
uuv2010
御剑江湖
yjcmwgk
jiaoyixiong
cenwanglai
ben_ladeng
ljw4010
荣誉成员:
余泽成
2300
13/23
首页
上一页
11
12
13
14
15
16
下一页
全部
专家会诊
MS
LAMMPS/DL_POLY
Gromacs/Amber/NAMD
DS/Sybyl/Autodock
Monte Carlo
ME/Gulp
Hyperchem
CPMD/CP2K
资源
其他
版务
回帖排序
发表排序
刷新页面
|
交流
|
求助
|
资源
精华区
作者
最后发表
[
热点
]
常年博士招收(双一流,工科)
tammmmm
2026-01-19
刚刚
[
DS/Syby
]
[已完结]
用DS对含有非氨基酸结构的蛋白进行建模
(评阅+1)
(4/644)
dingding9631
2014-01-04
2014-03-11 14:11:52
by
monsoncupid
[
DS/Syby
]
[已完结]
[关贴]
请问:Autodock计算导出的小分子结构/构象有问题,如下图,请问如何解决!
(评阅+1)
(2/618)
supengchen
2014-03-11
2014-03-11 10:09:50
by
supengchen
[
DS/Syby
]
[已完结]
什么情况,未进入结合腔?怎么办?
(评阅+1)
(5/612)
123456qi
2014-03-09
2014-03-10 21:45:19
by
123456qi
[
DS/Syby
]
[已完结]
ds做虚拟组合库设计
(评阅+1)
(1/419)
倩430
2014-03-09
2014-03-10 17:20:42
by
倩430
[
DS/Syby
]
[已完结]
请问大牛们,SYBYL可计算TOXIC,LIPINSKI RULE以及pharmacophore吗???
(1/501)
chentg
2011-09-04
2014-03-09 16:28:02
by
junjun0711
[
DS/Syby
]
把分子pdb文件修改后无法使用
(
1
2
)
(评阅+6)
(17/1862)
姜志文
2014-02-28
2014-03-08 13:38:36
by
姜志文
[
DS/Syby
]
[已完结]
autodock对接时受体输入后配体为什么输不进去
(评阅+6)
(0/307)
柯艳萍
2014-03-06
2014-03-06 16:06:34
by
柯艳萍
[
DS/Syby
]
[已完结]
妹子是autodock的新手,向高手请教。
(评阅+1)
(2/797)
junjun0711
2014-03-04
2014-03-05 09:07:53
by
junjun0711
[
DS/Syby
]
【求助】关于sybyl中配体分子的电荷问题
(3/1085)
qinqin837
2010-04-28
2014-03-04 17:13:40
by
anyachan
[
DS/Syby
]
de novo evolution用的片段库一般都去哪能找到啊
(2/976)
molinsky
2012-07-17
2014-03-01 16:31:57
by
netkiller119
[
DS/Syby
]
[已完结]
autodock何时完成计算
(评阅+6)
(3/911)
姜志文
2014-02-26
2014-02-28 08:23:48
by
pymol
[
DS/Syby
]
[关贴]
Tripos.SYBYL-X-2.0.0.11273.LINUX.x64 AND x86 AND WINDOWS
(
1
2
)
(VIP≥200)
(56/1375)
shenyudong
2012-07-11
2014-02-28 06:57:03
by
greatlse
[
DS/Syby
]
【求助】GOld 共价对接
(5/2088)
zxl102623
2010-09-28
2014-02-26 08:08:15
by
飘落的丘陵
[
DS/Syby
]
[已完结]
如何针对配体,在蛋白质数据库中搜索受体?
(评阅+1)
(1/2482)
vallen
2014-02-23
2014-02-24 08:45:04
by
polypro
[
DS/Syby
]
[已完结]
autodock与gromacs在Windows下的安装
(
1
2
)
(评阅+6)
(10/3076)
姜志文
2014-02-20
2014-02-21 18:07:02
by
姜志文
[
DS/Syby
]
[已完结]
蛋白和血红素对接不上
(评阅+1)
(3/693)
autumns3
2014-02-18
2014-02-20 16:35:45
by
ferlich
[
DS/Syby
]
[已完结]
sybyl-X random search
(评阅+1)
(0/443)
ablj1228
2014-02-20
2014-02-20 13:00:02
by
ablj1228
[
DS/Syby
]
[已完结]
Autodock 跑一次找100个构象和跑10次每次跑10个构象是一样的吗?
(评阅+1)
(5/1045)
我爱奶茶ing
2014-01-09
2014-02-20 11:18:49
by
tbw258
[
DS/Syby
]
[已完结]
对肽酰转移酶的sybyl分子对接
(评阅+1)
(2/709)
yilanding
2014-02-19
2014-02-19 20:37:00
by
yilanding
[
DS/Syby
]
[已完结]
sybyl8.0中怎么进行不同来源的蛋白酶的叠合,叠合结果怎么分析
(评阅+1)
(0/292)
xiaoxuancao
2014-02-17
2014-02-17 16:50:42
by
xiaoxuancao
[
DS/Syby
]
[已完结]
sybyl的问题
(1/413)
duhuirru
2013-06-26
2014-02-17 07:51:39
by
yilanding
[
DS/Syby
]
[已完结]
请问如何在iOS系统上安装Autodock4。谢谢!!!
(评阅+1)
(0/405)
一直在笑
2014-02-16
2014-02-16 22:00:29
by
一直在笑
[
DS/Syby
]
[已完结]
[关贴]
求助四张SYBYL结果图,如何成清晰的矢量图,有40金币悬赏
(
1
2
)
(评阅+1)
(10/1609)
chentg
2013-12-07
2014-02-14 13:31:49
by
paul34
[
DS/Syby
]
[已完结]
3d qsar pharmacophore generation处理的sd文件到底啥格式啊?
(评阅+1)
(2/491)
shui_zhi_dao
2014-02-11
2014-02-11 12:51:50
by
shui_zhi_dao
[
DS/Syby
]
[已完结]
求助DS显示项目的意义
(评阅+1)
(0/234)
monkey514
2014-02-10
2014-02-10 20:56:25
by
monkey514
[
DS/Syby
]
[已完结]
关于autodock对接结果中的binding energy
(评阅+1)
(2/2883)
moonoom
2014-02-06
2014-02-07 17:56:17
by
longytu
[
DS/Syby
]
[已完结]
[关贴]
AutoDock、Vina使用中的一些问题
(评阅+6)
(4/2663)
M1ngq
2013-11-06
2014-02-07 14:58:19
by
longytu
[
DS/Syby
]
autodock 配体文件在windows下提取
(评阅+1)
(4/1332)
___garrett
2014-01-05
2014-01-23 22:12:58
by
yangming98
[
DS/Syby
]
[已完结]
autodock安装好后导入分子为什么不对(附图)
(
1
2
)
(18/3454)
可米kemi
2011-08-24
2014-01-23 20:19:36
by
yangming98
[
DS/Syby
]
[已完结]
本人初学SYBYL~~请教.hits后缀格式的问题
(评阅+1)
(4/1003)
junjun0711
2013-11-21
2014-01-23 19:58:25
by
yangming98
[
DS/Syby
]
【求助】autodock结果怎么分析 还有怎么来进行筛选
(
1
2
)
(评阅+1)
(12/3710)
唐荣胜
2010-05-25
2014-01-23 19:16:50
by
yangming98
[
DS/Syby
]
[已完结]
autodock怎么测距离
(评阅+1)
(2/755)
zxw9301
2013-12-31
2014-01-14 18:14:31
by
hongxiaoyu
[
DS/Syby
]
[已完结]
如何计算RMSD值
(评阅+1)
(1/5994)
haiyanqian
2014-01-13
2014-01-14 17:54:57
by
hongxiaoyu
[
DS/Syby
]
[已完结]
关于Autodock修改金属参数以及如何提高精度,降低RMSD值的问题......
(0/1074)
hongxiaoyu
2014-01-14
2014-01-14 17:50:15
by
hongxiaoyu
[
DS/Syby
]
[已完结]
chemdraw怎么定义可变基团
(评阅+1)
(1/1816)
wbingxin2012
2014-01-13
2014-01-13 19:22:07
by
smutao
[
DS/Syby
]
[已完结]
关于使用PyRx做对接遇到的问题
(评阅+1)
(2/696)
sunnyboyluan
2014-01-12
2014-01-13 10:40:01
by
moonoom
[
DS/Syby
]
[已完结]
[关贴]
CADD新手,求助用chembio3D如何对小分子进行优化?
(评阅+1)
(2/2234)
zd啦啦啦
2013-12-31
2014-01-12 10:20:11
by
longytu
[
DS/Syby
]
[已完结]
Discovery studio 模拟纤维素
(评阅+1)
(3/844)
s6120610021
2014-01-08
2014-01-09 12:37:59
by
cg陈
[
DS/Syby
]
【求助】在Syble中用COMSIA法计算分子的Acceptor和Donor数值为零是怎么回事?
(评阅+1)
(9/1886)
serien1987
2010-10-25
2014-01-09 07:34:34
by
gcg624
[
DS/Syby
]
[已完结]
pipline pilot 安装问题 在线等。高手帮忙支招
(4/819)
aqiao
2011-08-18
2014-01-05 12:04:16
by
老曼7
[
DS/Syby
]
【求助】ADT打开有问题
(7/1784)
银光闪烁
2010-05-18
2014-01-03 09:39:24
by
joy11
[
DS/Syby
]
[已完结]
对接过程,配体与受体位置关系是否可以调整
(评阅+1)
(2/777)
29050801
2014-01-02
2014-01-02 21:57:37
by
29050801
[
DS/Syby
]
[已完结]
请问准备小分子配体时,有的准备不成功,是什么原因?
(评阅+1)
(5/1436)
wen530
2013-12-24
2014-01-02 21:15:01
by
monsoncupid
[
DS/Syby
]
autodock做了100个结果,之后该怎么处理,结合的是位点I,求助啊。。。
(评阅+1)
(4/1145)
zxw9301
2013-12-30
2013-12-30 19:36:55
by
longytu
[
DS/Syby
]
[已完结]
求助,DS2.5里怎么将两个叠合的亚基合并成一个蛋白?
(评阅+1)
(3/1391)
su_su
2013-12-27
2013-12-27 23:15:19
by
lyfxie8607
[
DS/Syby
]
[已完结]
用Autodock Tools 转pdbqt文件出错
(评阅+1)
(0/2677)
lyfxie8607
2013-12-26
2013-12-26 13:28:30
by
lyfxie8607
[
DS/Syby
]
[已完结]
新手学习建模 请问下面结构变化在sybyl中如何实现
(3/739)
水岩663
2013-09-04
2013-12-25 02:14:58
by
水岩663
[
DS/Syby
]
[已完结]
分子动力学模拟的升温跑4PS这样可以么?平衡步骤有大概要跑多久呢?
(评阅+1)
(7/2263)
=神神=
2013-12-21
2013-12-24 14:30:55
by
=神神=
[
DS/Syby
]
【讨论】同一蛋白质分成不同部分建模得到的结构如何生成一个结构?
(9/2116)
zhangdagou5858
2010-05-31
2013-12-24 12:00:03
by
shuifen1108
[
DS/Syby
]
[已完结]
[关贴]
关于分子与蛋白酶的对接问题~~~
(评阅+1)
(2/583)
yanxiao3130
2013-11-28
2013-12-22 20:25:38
by
longytu
[
DS/Syby
]
[已完结]
SYBYL做的分子对接-pymol 如何能够做出DNA三维结构?
(评阅+1)
(1/2611)
sageyaya
2013-12-10
2013-12-21 23:36:19
by
smutao
[
DS/Syby
]
[已完结]
如何将小分子Jmol格式转化为pdb格式
(评阅+1)
(4/1851)
smy897579
2013-12-17
2013-12-20 19:44:51
by
huterx
[
DS/Syby
]
[已完结]
[关贴]
生成原型分子protomol时无法生成,出现
(评阅+1)
(0/1182)
zeroqianyu
2013-12-20
2013-12-20 10:12:12
by
zeroqianyu
[
DS/Syby
]
【求助】Discovery Studiov2.1 和Accelrys Pipline Pilotv7.5兼容吗?
(
1
2
)
(评阅+1)
(11/1698)
xppcomeon
2010-09-28
2013-12-17 07:37:11
by
asind
[
DS/Syby
]
一个小小的困惑,sybyl
(评阅+1)
(1/307)
老曼7
2013-12-14
2013-12-15 09:45:07
by
yalefield
[
DS/Syby
]
[已完结]
配体pdb文件中的温度因子
(评阅+5)
(3/1048)
xuyoudong
2013-11-05
2013-12-13 10:58:17
by
wangyan10
[
DS/Syby
]
[已完结]
DS同源建模报错
(评阅+1)
(4/857)
gxc0824
2013-11-10
2013-12-11 15:20:50
by
HLAB
[
DS/Syby
]
[已完结]
[关贴]
蛋白柔性残基设置之后非整数电荷问题?
(评阅+6)
(0/397)
liu_chen_na
2013-12-11
2013-12-11 14:37:54
by
liu_chen_na
[
DS/Syby
]
[已完结]
DS中如何实现分布优化
(评阅+1)
(3/547)
haiyanqian
2013-11-25
2013-12-09 14:07:34
by
monsoncupid
[
DS/Syby
]
[已完结]
[关贴]
sybyl软件有哪些配套的药物分子或蛋白质数据库
(评阅+1)
(3/1196)
emucong
2013-12-05
2013-12-05 23:14:08
by
emucong
[
DS/Syby
]
[已完结]
[关贴]
ds opose
(评阅+1)
(2/544)
caidong0804
2013-11-27
2013-12-03 19:41:11
by
monsoncupid
[
DS/Syby
]
[已完结]
[关贴]
sybyl对接结果如何计算非键作用能?
(评阅+1)
(1/632)
w418704194
2013-12-01
2013-12-03 17:23:36
by
w418704194
[
DS/Syby
]
请教审稿人这句话想说什么意思呢?我该如何回答(同源建模方面)
(评阅+1)
(0/463)
kingstar1027
2013-11-30
2013-11-30 22:13:02
by
kingstar1027
[
DS/Syby
]
[已完结]
从PDB数据库中下载的四聚体只有一个亚基,应该如何下载其它三个亚基的信息
(评阅+1)
(2/1430)
shidahua
2013-11-29
2013-11-30 13:13:33
by
yaozhq
[
DS/Syby
]
[已完结]
[关贴]
AutoDock对接过程中不生成.dlg文件,显示dpf文件命名有误
(0/464)
M1ngq
2013-11-28
2013-11-28 11:40:32
by
M1ngq
[
DS/Syby
]
[已完结]
[关贴]
怎样用sybyl画R S 型分子及消旋体(我用sybyl画出的S型和消旋体一样?)
(评阅+1)
(0/468)
szhshuan
2013-11-26
2013-11-26 22:59:19
by
szhshuan
[
DS/Syby
]
[已完结]
[关贴]
用sybyl软件画轴手性物质的两个对映异构体
(评阅+1)
(0/271)
loganhxl
2013-11-26
2013-11-26 11:06:45
by
loganhxl
[
DS/Syby
]
刚性蛋白中氨基酸有非整数电荷,如何处理?
(评阅+1)
(4/1296)
liu_chen_na
2013-11-21
2013-11-25 10:05:15
by
liu_chen_na
[
DS/Syby
]
[已完结]
[关贴]
请教autodock4: non-integral charge及error in docking parameter file
(2/3661)
szhshuan
2013-11-23
2013-11-23 18:19:07
by
szhshuan
[
DS/Syby
]
[已完结]
[关贴]
autodock前的能量最小哈
(评阅+1)
(1/589)
拉风蜗牛王
2013-11-21
2013-11-21 13:50:44
by
iovvoi
[
DS/Syby
]
[已完结]
sybyl suflex-dock 时出现“protomol generation failed”
(评阅+1)
(3/1454)
百步穿杨999
2013-10-31
2013-11-19 13:53:47
by
百步穿杨999
[
DS/Syby
]
[已完结]
寻人帮助做多肽与蛋白的3D-QSAR
(评阅+1)
(5/916)
shaye
2013-11-16
2013-11-19 12:04:31
by
shaye
[
DS/Syby
]
[已完结]
[关贴]
autodock瞬间运行完,完后结果分析出现错误
(2/1227)
giftzc
2013-11-17
2013-11-18 19:56:35
by
茉沫巫
[
DS/Syby
]
[已完结]
[关贴]
药效团验证ROC曲线的绘制
(评阅+1)
(0/724)
xiaodaolai
2013-11-18
2013-11-18 16:49:49
by
xiaodaolai
[
DS/Syby
]
[已完结]
DS分子对接总是出现0 pose
(9/2284)
天湖酒
2013-09-09
2013-11-16 15:52:02
by
shadow004
[
DS/Syby
]
[已完结]
[关贴]
autogride
(2/350)
linxia2009
2013-11-13
2013-11-13 15:54:57
by
linxia2009
[
DS/Syby
]
[已完结]
[关贴]
discovery studio能将两个酶结构叠加起来比较吗?
(2/1333)
天湖酒
2013-11-13
2013-11-13 14:59:38
by
louis_cheung
[
DS/Syby
]
[已完结]
[关贴]
sybyl做得药效团模型怎么在别的计算机上打开
(评阅+1)
(0/478)
梁英喜
2013-11-12
2013-11-12 22:13:22
by
梁英喜
[
DS/Syby
]
[已完结]
[关贴]
急求解!!AutoDock对接后,分析提示错误
(评阅+5)
(7/1570)
M1ngq
2013-11-06
2013-11-11 23:38:20
by
M1ngq
[
DS/Syby
]
关于sybyl-x2.0小分子之间的对接问题
(2/1260)
harriet7929
2013-09-17
2013-11-11 16:08:48
by
shuzhen
[
DS/Syby
]
[已完结]
求助源资科技sybyl-x SYBYL-X网络培训1-8讲全
(2/667)
yuanyuan1985419
2013-11-04
2013-11-11 16:00:56
by
shuzhen
[
DS/Syby
]
[已完结]
[关贴]
求助sybyl软件的下载
(评阅+1)
(0/7478)
shuzhen
2013-11-11
2013-11-11 09:38:19
by
shuzhen
[
DS/Syby
]
[已完结]
autodock安装
(评阅+1)
(9/1398)
linxia2009
2013-11-05
2013-11-07 21:29:25
by
therotyonth
[
DS/Syby
]
[已完结]
请问谁有autodock3.05完整版
(评阅+1)
(7/1166)
xuyoudong
2013-11-05
2013-11-07 17:25:46
by
xuyoudong
[
DS/Syby
]
[已完结]
如何把铁朴啉环做成过渡态
(评阅+5)
(0/370)
s1g2k3
2013-11-05
2013-11-05 15:55:49
by
s1g2k3
[
DS/Syby
]
[已完结]
从RCSB上下载的TTR文件打开是二聚体
(评阅+1)
(1/1097)
greyhuli
2013-11-02
2013-11-03 10:36:09
by
126406380
[
DS/Syby
]
[已完结]
DS 2.5.0 操作问题
(4/1297)
monsoncupid
2013-10-30
2013-10-31 19:13:38
by
monsoncupid
[
DS/Syby
]
[已完结]
用DS 2.5对多亚基酶进行同源建模
(3/1178)
dingding9631
2013-10-28
2013-10-31 10:56:52
by
dingding9631
[
DS/Syby
]
[已完结]
重对接问题
(7/767)
xiaodaolai
2013-10-30
2013-10-30 21:29:33
by
monsoncupid
[
DS/Syby
]
[已完结]
20金币求DS分子对接视屏教程
(8/1981)
lizzie_su
2011-08-30
2013-10-29 17:44:02
by
1574441329
[
DS/Syby
]
[已完结]
AutoDock大分子问题
(
1
2
)
(11/2273)
625915317
2013-10-18
2013-10-24 10:56:16
by
sjputao
[
DS/Syby
]
[已完结]
怎样以Ref RMS来评价autodock对接方法的可靠性(重对接法)
(2/3301)
szhshuan
2013-10-22
2013-10-23 19:24:10
by
monsoncupid
[
DS/Syby
]
[已完结]
DS分子对接怎么评价?
(3/1797)
天湖酒
2013-09-11
2013-10-23 15:51:36
by
monsoncupid
[
DS/Syby
]
[已完结]
我在sybyl里导入活性数据的时候,总有问号错误出现
(0/321)
565034654
2013-10-22
2013-10-22 17:31:38
by
565034654
[
DS/Syby
]
[已完结]
有离子的化合物如何对接
(0/452)
zhouzhiguang
2013-10-19
2013-10-19 20:56:23
by
zhouzhiguang
[
DS/Syby
]
[已完结]
AutoDock安装问题
(5/1346)
xiaodaolai
2013-10-13
2013-10-17 12:44:31
by
xiaodaolai
[
DS/Syby
]
【求助】DS2.5操作问题
(4/1109)
sungl07
2010-07-27
2013-10-16 21:23:58
by
wmj89729
[
DS/Syby
]
[已完结]
我是初学小菜鸟, 请教版内高手有什么杂志常收录相关docking的文件,比较权威的
(2/442)
junjun0711
2013-10-15
2013-10-16 11:07:30
by
junjun0711
[
DS/Syby
]
[已完结]
想请您指点一下如何在ds中安装UniRef90 database
(0/331)
ttrr1987
2013-10-15
2013-10-15 15:16:13
by
ttrr1987
[
DS/Syby
]
[已完结]
请问大家这种图片里面的棍状蛋白是用哪个命令做出来的?
(2/302)
wohaihao
2013-10-10
2013-10-14 18:22:17
by
wohaihao
2300
13/23
首页
上一页
11
12
13
14
15
16
下一页
相关版块跳转
第一性原理
量子化学
计算模拟
分子模拟
仿真模拟
程序语言
查看
最后发表
发贴时间
按降序排列
按升序排列