±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1485  |  »Ø¸´: 11
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

baiyuefei

°æÖ÷ (ÎÄѧ̩¶·)

·çÑ©

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÎÄÏ׽ܳö¹±Ï×ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÎÄÏ׽ܳö¹±Ï×ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÎÄÏ׽ܳö¹±Ï×ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

[ÇóÖú] X-ray pdb structure ÊÇʲôÒâ˼£¿Ê²Ã´½á¹¹ÄØ£¿

ÈçÌ⣬¸Ã¶ÌÓïÀ´×ÔÉó¸åÈ˵ÄÒ»¸ö¾ä×ÓÀïÈçÏÂËùʾ¡£ÇëÎÊ
X-ray pdb structure ÊÇʲôÒâË¼ÄØ£¿½á¹¹Í¼»¹ÊÇÎļþ£¿
Another suggestion on how to find the conformations closest to the X-ray conformations is to start from X-ray pdb structure and see how it will be optimized within QM.
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

baiyuefei

°æÖ÷ (ÎÄѧ̩¶·)

·çÑ©

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÎÄÏ׽ܳö¹±Ï×ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÎÄÏ׽ܳö¹±Ï×ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÎÄÏ׽ܳö¹±Ï×ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

ÒýÓûØÌû:
Originally posted by bible2 at 2011-06-15 16:55:23:
Èç¹ûÄãÓÐCIFÎļþ£¬¿ÉÒÔ´«µ½¸½¼þÉÏ£¬ÎÒ¿ÉÒÔÊÔÊÔ¡£

ÕâÊÇÁ½¸öÓлúµ¥¾§µÄcifÎļþ£¬Âé·³¸ßÊÖÁË¡£×îºóµ½Ê±ÎÒÔÙ¶à¼ÓЩ½ð±Ò±íʾÏÂÎÒµÄлÒ⣬·Ç³£¸ÐлÄú£¡
https://good.gd/1290345.htm
7Â¥2011-06-15 17:03:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 12 ¸ö»Ø´ð

bible2

°æÖ÷ (Ö°Òµ×÷¼Ò)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
drg1984(½ð±Ò+1): лл»ØÌûÓ¦Öú£¡ 2011-06-15 15:49:24
baiyuefei(½ð±Ò+70): ·Ç³£¸Ðл²»¹ý»¹²»ÊÇÌ«Ã÷°×£¬ÎÒÔÙ¿´¿´Ñо¿Ï塃 2011-06-15 18:59:52
pdbÊÇÒ»ÖÖÎļþ¸ñʽ£¬ÓÃÀ´ÃèÊö¾§Ìå½á¹¹µÄ£¬ÀàËÆÓÚdiamondÎļþ¡£
2Â¥2011-06-15 15:42:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

baiyuefei

°æÖ÷ (ÎÄѧ̩¶·)

·çÑ©

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÎÄÏ׽ܳö¹±Ï×ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÎÄÏ׽ܳö¹±Ï×ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÎÄÏ׽ܳö¹±Ï×ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

ÒýÓûØÌû:
Originally posted by bible2 at 2011-06-15 15:42:52:
pdbÊÇÒ»ÖÖÎļþ¸ñʽ£¬ÓÃÀ´ÃèÊö¾§Ìå½á¹¹µÄ£¬ÀàËÆÓÚdiamondÎļþ¡£

°ïÈ˰ïÎÒ½âÎö³öÀ´µÄ¾§ÌåÊý¾ÝÖУ¬ÎÒѰÕÒÁËδÕÒµ½pdb¸ñʽµÄÎļþ°¡¡£ÎÒ¸ÃÔõôµÃµ½Îҵľ§ÌåpdbÎļþÄØ£¬Çë¸ßÊÖÖ¸µ¼ÏÂСµÜ¡£
3Â¥2011-06-15 15:59:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

bible2

°æÖ÷ (Ö°Òµ×÷¼Ò)

ÎÒÖªµÀMaterials Studio¿ÉÒÔ´´½¨PDBÎļþ(PDB---The Protein Data Bank file format ).
4Â¥2011-06-15 16:19:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +12 Ò»ÑùYWY 2026-04-01 12/600 2026-04-02 00:21 by °ÙÃë¹âÄê
[¿¼ÑÐ] 274Çóµ÷¼Á +4 Ѧ¶¨Ú̵Ļ¢¡£ 2026-04-01 4/200 2026-04-01 22:56 by wxiongid
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉϺ£º£Ñó´óѧ083200ʳƷѧ˶£¬Çóµ÷¼Á£¬½ÓÊÜÆäËûרҵ +5 whatÕÅ 2026-04-01 5/250 2026-04-01 22:35 by guanxin1001
[¿¼ÑÐ] 261Çóµ÷¼Á +3 Ã÷×С¤ 2026-04-01 3/150 2026-04-01 20:52 by cq2548
[¿¼ÑÐ] 303·Ö 0807ѧ˶Çóµ÷¼Á +3 TYC3632 2026-04-01 3/150 2026-04-01 19:24 by lwk2004
[¿¼ÑÐ] 0703Çóµ÷¼Á +4 zizimo 2026-03-31 4/200 2026-04-01 16:04 by yanflower7133
[¿¼ÑÐ] 0856³õÊÔ324·ÖÇóµ÷¼Á +5 ÏëÉÏѧÇóµ÷ 2026-04-01 5/250 2026-04-01 15:28 by ¿¼ÑÐÉϰ¶Ñ½Ò»¶¨Ò
[¿¼ÑÐ] 321Çóµ÷¼Á +8 y-yh 2026-04-01 8/400 2026-04-01 14:44 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] ÉúÎïѧ296Çóµ÷¼Á +10 ÌÀÔ²°ü 2026-03-29 14/700 2026-04-01 10:44 by Çóµ÷¼Ázz
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄÏʦ´ó0703»¯Ñ§ 275Çóµ÷¼Á +5 RipcordÉϰ¶ 2026-03-27 5/250 2026-03-31 19:52 by mg1014
[¿¼ÑÐ] 0856 335·Ö +9 cccchenso 2026-03-29 9/450 2026-03-31 16:37 by lishahe
[¿¼ÑÐ] 286Çóµ÷¼Á +6 Faune 2026-03-30 6/300 2026-03-31 14:37 by jp9609
[¿¼ÑÐ] 287Çóµ÷¼Á +17 land xuxu 2026-03-26 17/850 2026-03-31 11:16 by Zzxxxs
[¿¼ÑÐ] 085600£¬×¨Òµ¿Î»¯¹¤Ô­Àí£¬320·ÖÇóµ÷¼Á +6 ´ó²öС×Ó 2026-03-29 6/300 2026-03-31 10:03 by ÂÈ»¯ÑÇÏõõ£
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¹¤Òµ´óѧ£¬324·ÖÇóµ÷¼Á +6 Áã°Ë# 2026-03-28 6/300 2026-03-29 21:20 by nanaliuyun
[¿¼ÑÐ] 330Ò»Ö¾Ô¸Öйúº£Ñó´óѧ »¯Ñ§¹¤³Ì 085602 ÓжÁ²©ÒâÔ¸ Çóµ÷¼Á +3 wywy.. 2026-03-27 4/200 2026-03-28 03:32 by fmesaito
[¿¼ÑÐ] 265Çóµ÷¼Á +8 Сľ³æ085600 2026-03-27 8/400 2026-03-27 22:16 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 315µ÷¼Á +4 0860Çóµ÷¼Á 2026-03-26 5/250 2026-03-27 11:23 by wangjy2002
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +4 ´Þwj 2026-03-26 4/200 2026-03-27 08:04 by chemisry
[¿¼ÑÐ] »·¾³×¨Ë¶324·ÖÇóµ÷¼ÁÍÆ¼ö +5 ÐùСÄþ¡ª¡ª 2026-03-26 5/250 2026-03-26 12:05 by i_cooler
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û