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[热点] 售SCI一区T0P文章,我:8O.55.1.O.5.4,科目齐全,可+急 PGTSwSC3F6nQ 2026-09-27 刚刚
[其他] PatchDock是盲对接吗 (0/973) liuyanyanhx 2013-04-12 2013-04-12 10:39:49 by liuyanyanhx
[DS/Syby ] SYBYL对接时分配原子类型后,怎样对没有分配好的原子进行手动分配? (0/428) liuyanyanhx 2013-04-12 2013-04-12 10:00:08 by liuyanyanhx
[MS] [已完结]在用castep模拟PC动力学的时候,出现了下面的错误,不知道怎么解决,请赐教。 (0/286) 猫头鹰love 2013-04-12 2013-04-12 08:51:59 by 猫头鹰love
[DS/Syby ] [已完结]什么样的hypogen药效团是好的 (0/979) 翠山 2013-04-12 2013-04-12 07:48:39 by 翠山
[MS] [已完结]materials studio教程中对硝基苯乙烯在三氧化二铝上作用的能量结果是多少? (0/604) lixianbo 2013-04-11 2013-04-11 22:39:51 by lixianbo
[DS/Syby ] 运行DS的电脑配置 (4/1656) asd724210 2013-04-10 2013-04-11 19:47:20 by 鸡腿套餐
[LAMMPS/ ] [已完结]ms粗粒化模型导入lammps (2/1274) shixiaocn 2013-04-07 2013-04-11 17:19:17 by chaizhm
[LAMMPS/ ] [已完结]lammps错误指导 (3/783) yangwenbin99 2013-04-07 2013-04-11 14:05:17 by ddll_slsl
[其他] [复制] Mississippi State University招聘博士生 (4/200) fegg7502 2013-04-10 2013-04-11 12:00:10 by fegg7502
[LAMMPS/ ] [已完结]模拟石墨烯断裂 (1/543) fo3mt2 2013-04-07 2013-04-11 10:39:44 by ddll_slsl
[LAMMPS/ ] [已完结]新手。。求大神解释。。 (1/373) xjniudong 2013-04-08 2013-04-11 10:36:10 by ddll_slsl
[LAMMPS/ ] [已完结]关于压头 (1/870) heibeidedong 2013-04-08 2013-04-11 10:35:25 by ddll_slsl
[专家会诊] [已完结]有关压电铁电材料分子动力学模拟用什么软件好呢 (2/729) lsls1990 2013-04-08 2013-04-11 09:55:40 by 沧海一帆
[MS] [已完结]关于MS中Dmol3的VDW校正 (2/852) wangqunqun33 2013-04-09 2013-04-11 08:53:29 by wangqunqun33
[Gromacs ] [已完结]amber的tleap出错 (5/3486) mojie1987 2013-04-09 2013-04-10 19:28:06 by mojie1987
[DS/Syby ] 精华I:  [关贴]【分享】Sybyl-x v1.1.083(Linux+Windows版+数据库)    ( 1 2 3 4 5 ) (评阅+8) (47/8642) sydtyx 2010-04-20 2013-04-10 18:08:41 by tjchen
[MS] [已完结]DMol3 运算出错 (0/590) WANG7303 2013-04-10 2013-04-10 15:53:28 by WANG7303
[Gromacs ] [已完结][关贴]NAMD2不是内部或外部命令,也不是可运行的程序 (0/543) 工大新生 2013-04-10 2013-04-10 12:42:30 by 工大新生
[LAMMPS/ ] [已完结]lammps data file中水的H,O排列 (4/3037) yiha 2012-07-06 2013-04-10 07:41:34 by yangwenbin99
[MS] [已完结]CASTEP收敛性测试、能量、几何优化 (1/1344) 绿色世界 2013-04-09 2013-04-10 05:23:00 by love5264
[Hyperch ] [已完结]求助:求大神帮忙用DFT确认一个化学结构 ~急! (0/890) 三叶草lucky 2013-04-09 2013-04-09 23:40:16 by 三叶草lucky
[Gromacs ] [已完结]请教Atom Type Definitions (2/465) major016 2013-04-02 2013-04-09 17:50:53 by 洁琼
[MS] [已完结]Dmol3计算周期性体系振动频率时k点的设置问题 (3/3368) tzyioo 2013-04-06 2013-04-09 16:56:07 by tzyioo
[MS] [已完结]MS做单晶Si优化 (0/336) foreverweiyi 2013-04-09 2013-04-09 16:36:31 by foreverweiyi
[Gromacs ] [已完结]about: FF development in amber (0/302) jiangdafa 2013-04-09 2013-04-09 16:29:37 by jiangdafa
[专家会诊] [已完结]求助:想知道 2-巯基苯并咪唑 C7H6N2S的分子尺寸 长宽高信息! (0/250) zcliang 2013-04-09 2013-04-09 15:47:45 by zcliang
[Gromacs ] [已完结]体系的pH (2/870) spirte雷 2013-04-01 2013-04-09 10:42:23 by spirte雷
[MS] [已完结]displacement per atom for electron in mental material (2/564) liqingzh 2013-04-02 2013-04-08 16:07:21 by excellencer
[MS] [已完结]紧急求助:怎样用pymol计算BSA的表面基团分布 (0/494) 流失的微笑 2013-04-08 2013-04-08 13:29:42 by 流失的微笑
[CPMD/CP ] [已完结]疑问??? (0/368) sir123 2013-04-08 2013-04-08 09:08:38 by sir123
[DS/Syby ] [已完结]DS中minimization提示运行成功,但是没有结果 (3/877) asd724210 2013-04-07 2013-04-08 08:29:53 by wangyan10
[资源] 南开大学ORIGIN使用指南    ( 1 2 ) (11/3053) 红精灵 2011-06-29 2013-04-08 06:10:11 by hnsdaa
[MS] [已完结]dmol3算表面 (1/796) lycoco 2013-01-18 2013-04-08 05:52:14 by xiaoji134679
[Gromacs ] gromacs模拟前,怎么样打开二硫键?打开后怎么样往上面加氢? (0/712) wanglang1987 2013-04-07 2013-04-07 22:54:40 by wanglang1987
[MS] [已完结]怎么把前面的改成后面的样子 (0/207) foreverweiyi 2013-04-07 2013-04-07 20:34:14 by foreverweiyi
[Gromacs ] [已完结]gromacs是否安装成功    ( 1 2 ) (14/2987) wanglang1987 2012-10-09 2013-04-07 19:49:38 by wanglang1987
[专家会诊] [已完结]求推荐MSD经典教材或文献 (0/477) pumpkin_sky 2013-04-07 2013-04-07 18:22:23 by pumpkin_sky
[专家会诊] 请教如何构建圆截面的模型 (0/430) jinlong8937 2013-04-07 2013-04-07 17:04:20 by jinlong8937
[专家会诊] [已完结]MS5.5运算不正常 (2/427) lavinia 2013-04-04 2013-04-07 15:30:10 by 1234liang
[DS/Syby ] [已完结]DS 结果分析 (7/1168) 古小青 2013-04-01 2013-04-07 14:19:08 by wangyan10
[DS/Syby ] [已完结]DS 动力学 (0/376) 古小青 2013-04-07 2013-04-07 12:29:34 by 古小青
[MS] [已完结]Castep计算的好好地突然出现MPI问题,求高人指点 (4/739) fanhongxiang 2012-07-14 2013-04-07 07:48:00 by fanhongxiang
[Gromacs ] [已完结]RING生成网络数据问题 (2/381) 倩430 2012-12-25 2013-04-07 07:41:59 by 倩430
[MS] [已完结]请问径向分布函数通过积分得到配位数一般用什么软件?    ( 1 2 ) (17/3560) zx2456 2012-04-11 2013-04-07 07:30:35 by zx2456
[Gromacs ] [已完结]AMBER关于MD过程固定蛋白分子中心的参数设置问题 (1/1101) 帅帅@ 2013-04-06 2013-04-06 20:37:00 by lccbat
[DS/Syby ] 【求助】能够计算结合自由能的分子对接软件除了autodock还有哪些? (7/4015) czx12czx 2010-05-06 2013-04-06 15:56:30 by lrf1980
[Gromacs ] [已完结]打开由AMBER创建的pdb文件出现问题 (模拟EPI+1)(7/1806) welles.fong 2013-03-17 2013-04-06 15:46:49 by 白云鹤TJY
[Gromacs ] [已完结]SMD分子模拟提取snapshot的问题 (0/604) 白云鹤TJY 2013-04-06 2013-04-06 15:42:24 by 白云鹤TJY
[Gromacs ] [已完结]AMBER的amberpdb命令出错问题 (4/1668) 903566945 2012-05-15 2013-04-06 12:48:44 by 白云鹤TJY
[MS] [已完结]怎么理解分子的范德华半径 比如碘分子范式半径6.8埃 (0/1420) tudouchen 2013-04-06 2013-04-06 12:18:16 by tudouchen
[DS/Syby ] 【求助】求助:怎样将Autodock做出来的对接图保存成pdb格式?谢谢    ( 1 2 ) (评阅+1) (12/3689) gaoqunqunl 2010-10-13 2013-04-06 11:57:55 by jiangdafa
[其他] [已完结]OVITO - The Open Visualization Tool (2/1091) heibeidedong 2013-04-05 2013-04-06 11:45:13 by heibeidedong
[MS] 扩散系数 (3/716) 毛头毛头 2013-04-05 2013-04-06 10:42:52 by broken1999
[DS/Syby ] 【求助】蛋白相互作用网络怎么画?    ( 1 2 ) (评阅+1) (14/1705) kekexiliwolf 2010-09-20 2013-04-06 08:43:57 by 倩430
[DS/Syby ] [已完结]autodock tool导入macromolecule后再导入ligand就出错了 (1/1434) ming142007 2013-04-05 2013-04-05 22:23:45 by longytu
[Gromacs ] [已完结]gromacs 模拟退火与温度耦合 (0/2577) qishiyy 2013-04-05 2013-04-05 20:15:47 by qishiyy
[MS] [已完结]求助MS (1/370) hjfdgg 2013-04-05 2013-04-05 17:32:59 by pigrass
[DS/Syby ] [已完结]分子动力学的时间 (9/5184) asd724210 2013-04-01 2013-04-05 16:34:08 by wangyan10
[LAMMPS/ ] [已完结]lammps安装问题 (3/1000) 水影恋镜 2012-06-07 2013-04-05 14:58:40 by 胡博洋的洋
[LAMMPS/ ] 有关Lammps模拟可视化问题 (7/2514) xiexiaojiang 2011-11-30 2013-04-05 13:15:54 by 25351048
[LAMMPS/ ] [已完结]纳米压痕,只有坐标文件,怎么计算扰度? (2/513) xw陌上花开 2013-04-01 2013-04-04 18:41:38 by xw陌上花开
[其他] [已完结]在pymol中,怎么标出蛋白质巯基? (4/1348) wanglang1987 2013-03-21 2013-04-04 18:15:43 by longytu
[DS/Syby ] [已完结]分子对接的评价问题 (4/2300) asd724210 2013-04-03 2013-04-04 17:58:53 by longytu
[LAMMPS/ ] [已完结]lammps运行错误 (1/1410) exwhite 2013-03-30 2013-04-04 15:12:34 by ddll_slsl
[MS] [已完结]求专业人士用MS计算一个小分子的尺寸 (4/1589) eszhan 2013-03-27 2013-04-04 11:23:19 by eszhan
[MS] [已完结]求助一个分子结构 (6/1340) jin_ning 2013-03-11 2013-04-04 00:32:38 by pigrass
[专家会诊] [已完结]MUSIC 使用post得到的isotherm 如何和实验的对比? (1/526) adarain6 2013-04-03 2013-04-03 14:23:05 by adarain6
[MS] [已完结]MS请教,菜鸟级,实在不会整了…… (5/1143) Rafa 2013-03-30 2013-04-03 14:20:44 by pigrass
[DS/Syby ] 【求助】sybyl对接请教    ( 1 2 ) (12/2607) 夏天的鱼 2010-08-02 2013-04-03 13:55:21 by liuyanyanhx
[LAMMPS/ ] [已完结]vmd 边界处氢键显示 (1/1031) yiha 2013-04-01 2013-04-03 11:56:33 by childsliu
[MS] 陈振隆 (2/674) 毛头毛头 2013-04-03 2013-04-03 11:17:58 by 毛头毛头
[LAMMPS/ ] [已完结]LAMMPS并行安装问题 (4/1874) 胡博洋的洋 2013-04-01 2013-04-03 08:46:43 by 胡博洋的洋
[Gromacs ] [已完结]求助大家 (2/615) huyingdamon 2013-04-02 2013-04-03 08:26:50 by jiaoyixiong
[MS] Materials studio 6.1新版本发布通知 (1/1579) 创腾科技 2012-12-20 2013-04-03 06:05:04 by 小红豆
[其他] [已完结]Tinker里面的prm如何添加参数 (2/870) mojie1987 2013-04-02 2013-04-03 04:46:59 by yuxiaolin
[MS] [已完结]C70分子建模 (2/1393) 枫叶红了1227 2013-03-26 2013-04-02 21:09:06 by pigrass
[MS] [已完结]CASTEP如何模拟表面反应 (0/386) foreverweiyi 2013-04-02 2013-04-02 20:18:55 by foreverweiyi
[专家会诊] [已完结]MS画分子结构时不能画环结构,也不能在环结构上连支链,求大神解答 (0/506) ytduh 2013-04-02 2013-04-02 17:18:06 by ytduh
[MS] [已完结]DPD模拟 (0/651) bb4774bb 2013-04-02 2013-04-02 16:44:24 by bb4774bb
[MS] [已完结]MS模拟 (0/328) Clovetessal 2013-04-02 2013-04-02 16:10:28 by Clovetessal
[LAMMPS/ ] [已完结]LAMMPS运行错误 (1/535) lstone03 2013-03-31 2013-04-02 16:09:56 by lstone03
[资源] [已完结]Discovery studio (3/1150) tangjie1989 2013-03-30 2013-04-02 15:51:40 by tangjie1989
[其他] [已完结]MVD docking后的小分子和蛋白的complex为啥在pymol里不能完全显示?    ( 1 2 ) (评阅+2) (14/3415) pkuchemistry 2011-04-29 2013-04-02 15:11:03 by 苏祖清
[MS] [已完结]纳米粒子与高聚物分子间作用力模拟 (4/1648) yonghan711 2011-06-07 2013-04-02 14:25:43 by yaoxin1
[其他] [已完结]如何将有小分子配体的pdb文件转成Tinker的xyz文件呢? (5/2214) mojie1987 2013-03-28 2013-04-02 12:07:59 by mojie1987
[LAMMPS/ ] [已完结]求lammps软件包 (6/2154) yangwenbin99 2012-10-29 2013-04-02 11:38:00 by 胡博洋的洋
[Gromacs ] [已完结]amber熵 计算报错 (0/547) 相约南药 2013-04-02 2013-04-02 10:58:04 by 相约南药
[Gromacs ] [已完结]请教HIP/HIE/HID代表什么意思 (3/5007) major016 2013-04-02 2013-04-02 10:51:11 by jackyma
[DS/Syby ] [已完结]MGLTools安装时的问题 (4/3420) huang172026 2013-01-20 2013-04-02 10:28:56 by 高興丶
[MS] [已完结]PLA和PA11的溶解度参数的实验值是多少? (0/701) 凌墨夏 2013-04-01 2013-04-01 21:20:29 by 凌墨夏
[Gromacs ] [已完结]断二硫键 (2/906) spirte雷 2013-03-29 2013-04-01 17:24:37 by spirte雷
[其他] [已完结]求助 求助 (0/238) chengcheng00 2013-04-01 2013-04-01 15:50:49 by chengcheng00
[MS] [已完结]Ni催化丁二烯三聚合成的分子模拟 (1/406) a101780 2013-03-29 2013-04-01 14:26:51 by zyj8119
[Gromacs ] 【求助】大家好,vmd能看生物分子活性吗 (评阅+1) (7/1528) luokei 2010-11-05 2013-04-01 14:02:08 by gaogao2013
[Gromacs ] [已完结]gromacs能否计算受体与配体间的相互接触面积 (3/1054) patent 2012-11-29 2013-04-01 12:23:19 by qishiyy
[Gromacs ] [已完结]体系热力学 Gromacs模拟 (0/643) fcg200808 2013-04-01 2013-04-01 10:17:31 by fcg200808
[ME/Gulp] [已完结]参照example35建立Cu-Zr二元体系团簇模型,急求帮助!!!!!!! (1/749) dwd0826 2013-03-30 2013-03-31 12:36:36 by dwd0826
[DS/Syby ] [已完结]蛋白的数据库 (1/535) 紫漠残星 2013-03-28 2013-03-30 19:11:36 by pymol
[专家会诊] [已完结]MS建模的问题 (0/376) 1051358187 2013-03-30 2013-03-30 14:32:33 by 1051358187
[MS] [已完结]急,求助MS操作问题 (8/1525) 448112596 2012-12-08 2013-03-30 07:50:58 by 448112596
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